Related Experiment Video
Updated: Jan 16, 2026
11:17
Stability and Structure of Bat Major Histocompatibility Complex Class I with Heterologous β2-Microglobulin
Published on: March 10, 2021
6.8K
In silico structure revision of zerumol A.
Mikhail E Elyashberg1, Andrei G Kutateladze2, Roderick W Bates3
1Advanced Chemistry Development Inc. (ACD/Labs), Toronto, ON M5C 1B5, Canada.
Fitoterapia
|October 1, 2025
Summary
The natural product zerumol A
Area of Science:
- Natural Product Chemistry
- Organic Chemistry
- Computational Chemistry
Background:
- A natural product, zerumol A, was previously reported.
- The initial proposed structure contained an oxetane moiety.
Purpose of the Study:
- To revise the proposed structure of zerumol A.
- To accurately determine the chemical structure of zerumol A.
Main Methods:
- Utilized computer-assisted structure elucidation (CASE).
- Employed density functional theory (DFT) approximation DU8ML for calculations.
Main Results:
- The structure of zerumol A was revised.
- The revised structure contains a 5,6-dihydro-2H-pyran unit, not an oxetane.
Conclusions:
- The initial structural assignment of zerumol A was incorrect.
- The 5,6-dihydro-2H-pyran structure is the accurate representation of zerumol A.
More Related Videos
Related Concept Videos
02:21Globular and Fibrous Proteins
46.8K
Many proteins can be classified into two distinct subtypes - globular or fibrous. These two types differ in their shapes and solubilities.
Globular proteins are also known as spheroproteins and typically are approximately round in shape. They contain a mix of amino acid types and contain differing sequences in their primary structures. Globular proteins have many different functions, such as enzymes, cellular messengers, and molecular transporters. These roles often require the proteins to be...
Globular proteins are also known as spheroproteins and typically are approximately round in shape. They contain a mix of amino acid types and contain differing sequences in their primary structures. Globular proteins have many different functions, such as enzymes, cellular messengers, and molecular transporters. These roles often require the proteins to be...
46.8K
02:00Molecular Models
43.5K
Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
43.5K
01:24Protein Organization
9.1K
Proteins are polymers of amino acid residues. They are versatile and responsible for different cellular functions, including DNA replication, molecular transport, catalysis, and structural support. Proteins have a hierarchical structure comprising at least three levels of organization: primary, secondary, and tertiary structure. Some large proteins have a quaternary structure where individual protein subunits are linked together.
The primary structure of a protein is its amino acid sequence....
The primary structure of a protein is its amino acid sequence....
9.1K
01:25Nucleic Acid Structure
8.4K
The pentose sugar in DNA is deoxyribose, while in RNA the pentose sugar is ribose. The difference between the sugars is the presence of the hydroxyl group on the ribose's second carbon and a hydrogen on the deoxyribose's second carbon. The phosphate residue attaches to the hydroxyl group of the 5′ carbon of one sugar and the hydroxyl group of the 3′ carbon of the sugar of the next nucleotide, which forms a 5′ to 3′ phosphodiester linkage.
DNA Structure
DNA...
DNA Structure
DNA...
8.4K
01:57Gene Families
9.8K
Gene families consist of groups of genes proposed to have originated from a common ancestor. Typically these arise through events in which a gene or genes are mistakenly duplicated during cell division. Unlike their parent genes (which are subject to selection pressure to maintain function), these gene copies do not need to preserve their sequences and may evolve at a relatively faster rate.
Occasionally these regions can be adapted to take on new roles within the organism, becoming novel genes...
Occasionally these regions can be adapted to take on new roles within the organism, becoming novel genes...
9.8K
01:07Structure of Benzene: Kekulé Model
11.6K
In 1865, August Kekule suggested the structure of benzene according to the structural theory of organic chemistry based on the three assertions—formula of benzene is C6H6, all the hydrogens of benzene are equivalent, and each carbon must have four bonds due to its tetravalency.
He proposed that benzene has a cyclic structure of six carbon atoms attached to one hydrogen atom each, with three alternating pi bonds.
He proposed that benzene has a cyclic structure of six carbon atoms attached to one hydrogen atom each, with three alternating pi bonds.
11.6K